bis[2-[carboxy-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]amino]ethyl]carbamic acid

Systemtic Name: bis[2-[carboxy-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]amino]ethyl]carbamic acid Openeye Name: bis[2-[(1-benzyl-2-ethoxy-2-oxo-ethyl)carbamoyl-carboxy-amino]ethyl]carbamic acid CAS Name: bis[2-[carboxy-[[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]amino]ethyl]carbamic acid IUPAC Name: bis[2-[carboxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]amino]ethyl]carbamic acid Traditional Name: bis[2-[(1-benzyl-2-ethoxy-2-keto-ethyl)carbamoyl-carboxy-amino]ethyl]carbamic acid Formula: C31H39N5O12 MolecularWeight: 673.66766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCN(CCN(C(=O)NC(CC2=CC=CC=C2)C(=O)OCC)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCN(CCN(C(=O)NC(CC2=CC=CC=C2)C(=O)OCC)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C31H39N5O12/c1-3-47-25(37)23(19-21-11-7-5-8-12-21)32-27(39)35(30(43)44)17-15-34(29(41)42)16-18-36(31(45)46)28(40)33-24(26(38)48-4-2)20-22-13-9-6-10-14-22/h5-14,23-24H,3-4,15-20H2,1-2H3,(H,32,39)(H,33,40)(H,41,42)(H,43,44)(H,45,46)